Phonon screening and dissociation of excitons at finite temperatures from first principles

AM Alvertis, JB Haber, Z Li, CJN Coveney… - Proceedings of the …, 2024 - pnas.org
The properties of excitons, or correlated electron–hole pairs, are of paramount importance to
optoelectronic applications of materials. A central component of exciton physics is the …

Rydberg Excitons and Trions in Monolayer MoTe2

S Biswas, A Champagne, JB Haber, S Pokawanvit… - ACS …, 2023 - ACS Publications
Monolayer transition metal dichalcogenide (TMDC) semiconductors exhibit strong excitonic
optical resonances, which serve as a microscopic, noninvasive probe into their fundamental …

Advances in two‐dimensional molybdenum ditelluride (MoTe2): A comprehensive review of properties, preparation methods, and applications

PV Shinde, M Hussain, E Moretti, A Vomiero - SusMat, 2024 - Wiley Online Library
In the past decade, molybdenum ditelluride (MoTe2) has received significant attention from
the scientific community due to its structural features and unique properties originate from …

Applications and potentials of machine learning in optoelectronic materials research: An overview and perspectives

CZ Zhang, FU Xiao-Qian - Chinese Physics B, 2023 - iopscience.iop.org
Optoelectronic materials are essential for today's scientific and technological development,
and machine learning provides new ideas and tools for their research. In this paper, we first …

Importance of nonuniform Brillouin zone sampling for ab initio Bethe-Salpeter equation calculations of exciton binding energies in crystalline solids

AM Alvertis, A Champagne, M Del Ben, FH da Jornada… - Physical Review B, 2023 - APS
Excitons are prevalent in semiconductors and insulators, and their binding energies are
critical for optoelectronic applications. The state-of-the-art method for first-principles …

Strongly Bound Excitons and Anisotropic Linear Absorption in Monolayer Graphullerene

A Champagne, M Camarasa-Gómez, F Ricci… - Nano Letters, 2024 - ACS Publications
Graphullerene is a novel two-dimensional carbon allotrope with unique optoelectronic
properties. Despite significant experimental characterization and prior density functional …

[HTML][HTML] Perovskite half tandem v-shaped grating nanostructure solar cells: Improvement by light trapping and carrier transfer towards efficiency enhancement

H Ahmadi, M Shahrostami, N Manavizadeh - Alexandria Engineering …, 2024 - Elsevier
In this paper, the enhancement of the perovskite solar cells (PSCs) efficiency through the
implementation of a half-tandem structure featuring two absorbent layers of MAPbI 3 and …

Compilation and deciphering MoS2's physical properties: Accurate benchmark DFT simulations and assessment of advanced quantum methods

N Rekik, I Isah, NAM Alsaif, M Alkadi, SA Yamusa… - Chemical Physics, 2024 - Elsevier
The effect of the cumulant approximations and commonly electronic structure methods
predominantly devoted to studying material properties at the atomic and molecular levels is …

Tailoring the optoelectronic properties of MoS2 for broadband photodetection: Showcasing an Ab-into study involving the quasi-particle correction within the Green's …

SA Yamusa, A Shaari, NAM Alsaif, N Rekik… - Computational …, 2024 - Elsevier
In this study, the electronic and structural characteristics of both bulk and monolayer
hexagonal MoS 2 material are studied within and beyond density functional theory (DFT) by …

Rydberg exciton states and near-infrared light-emitting diode in monolayer MoTe2 devices

SY Rodriguez, MA Campbell, J Liu… - arXiv preprint arXiv …, 2024 - arxiv.org
Excitons, or bound electron-hole pairs, play a crucial role in the optical response of
monolayer, 2H-phase transition-metal dichalcogenides (TMDs). They hold significant …